SCHEMBL3634073

SCHEMBL3634073

N#Cc1ccc(N(Cc2cc(F)cc(C(F)(F)F)c2)C2CCNCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.44
CETP P11597 1/20 0.40
SLC6A4 P31645 9/20 0.40
SLC6A2 P23975 8/20 0.40
SLC6A3 Q01959 5/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
VNN1 O95497 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3633393 0.92 SLC6A2 (0.43) TACR1SLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL3631945 0.88 SLC6A2 (0.51) TACR1SLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL3633857 0.84 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL3823147 0.84 TACR1 (0.44) TACR1CETPSLC6A4SLC6A2SLC6A3
SCHEMBL3627835 0.82 TACR1 (0.44) TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL3972380 0.79 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3KDM1AMAOB
SCHEMBL3978579 0.78 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3KDM1AMAOB
SCHEMBL3973401 0.76 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3KDM1AMAOB
SCHEMBL3972485 0.76 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3KDM1A
SCHEMBL3972502 0.75 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3KDM1AMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148872-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP claimed
WO-2008128994-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 WO claimed